5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile

C27H15N3O — CID 118397923

About 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile

5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile (PubChem CID 118397923) has the molecular formula C27H15N3O and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile
• PubChem CID: 118397923
• Molecular Formula: C27H15N3O
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.12
• IUPAC Name: 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile
• SMILES: N#Cc1cncc(-c2cccc(-c3cc4oc5ccccc5c4c4ccccc34)n2)c1
• InChI: InChI=1S/C27H15N3O/c28-14-17-12-18(16-29-15-17)23-9-5-10-24(30-23)22-13-26-27(20-7-2-1-6-19(20)22)21-8-3-4-11-25(21)31-26/h1-13,15-16H
• InChIKey: IZZCJWFEZFJALK-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 62.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile?

The IUPAC name of 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile (CID 118397923) is 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile.

What is the SMILES notation for 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile?

The canonical SMILES for 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3cc4oc5ccccc5c4c4ccccc34)n2)c1.

What is the InChIKey of 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile?

The InChIKey is IZZCJWFEZFJALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15N3O/c28-14-17-12-18(16-29-15-17)23-9-5-10-24(30-23)22-13-26-27(20-7-2-1-6-19(20)22)21-8-3-4-11-25(21)31-26/h1-13,15-16H.

What are the key properties of 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile?

5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 397.44 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118397923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).